Geometry & MOs

Info

ID:	373741
PubChem CID:	131319578
Reduced:	ClOSF3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	257.975358
ΔH_f, kcal/mol:	-170.32
Dipole, Da:	2.78
IP(EA), eV:	-9.33(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-3-hydroxy-1-benzothiophen-5-yl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1C(F)(F)F)C(=CS2)CO)Cl

DOS

IR

Vibrations